2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid

C18H22N2O3 — CID 135786496

IUPAC2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid
SMILESCCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)CC/C3=N\O
InChIInChI=1S/C18H22N2O3/c1-3-11-6-5-7-12-15-13(20-23)8-9-18(4-2,10-14(21)22)17(15)19-16(11)12/h5-7,19,23H,3-4,8-10H2,1-2H3,(H,21,22)/b20-13+
InChIKeyAMAOFSQGAWCOSJ-DEDYPNTBSA-N
MW314.38 g/mol
LogP3.82
Rot. Bonds4

About 2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid

2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid (PubChem CID 135786496) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid
PubChem CID135786496
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid
SMILESCCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)CC/C3=N\O
InChIInChI=1S/C18H22N2O3/c1-3-11-6-5-7-12-15-13(20-23)8-9-18(4-2,10-14(21)22)17(15)19-16(11)12/h5-7,19,23H,3-4,8-10H2,1-2H3,(H,21,22)/b20-13+
InChIKeyAMAOFSQGAWCOSJ-DEDYPNTBSA-N
XLogP3.82
TPSA85.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid?
The IUPAC name of 2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid (CID 135786496) is 2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid.
What is the SMILES notation for 2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid?
The canonical SMILES for 2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid is CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)CC/C3=N\O.
What is the InChIKey of 2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid?
The InChIKey is AMAOFSQGAWCOSJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-11-6-5-7-12-15-13(20-23)8-9-18(4-2,10-14(21)22)17(15)19-16(11)12/h5-7,19,23H,3-4,8-10H2,1-2H3,(H,21,22)/b20-13+.
What are the key properties of 2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid?
2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid has a molecular weight of 314.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid is sourced from PubChem (CID 135786496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).